SCHEMBL6735892

SCHEMBL6735892

O=C(O)O[C@H]1CCCC[C@H]1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.42
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPHX1 P07099 7/20 0.33
GSR P00390 2/20 0.33
FABP7 O15540 2/20 0.33
FABP3 P05413 2/20 0.33
FABP5 Q01469 2/20 0.33
SLC18A3 Q16572 3/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL166248 1.00 SERPINE1 (0.42) SERPINE1CES2CES1EPHX1GSR
SCHEMBL37491 1.00 SERPINE1 (0.42) SERPINE1CES2CES1EPHX1GSR
SCHEMBL1069661 0.94 SERPINE1 (0.38) SERPINE1SMN1; SMN2ALDH1A1
SCHEMBL906181 0.94 SERPINE1 (0.38) SERPINE1SMN1; SMN2ALDH1A1
SCHEMBL9166161 0.94 SERPINE1 (0.38) SERPINE1SMN1; SMN2ALDH1A1
Ethylene Glycol SCHEMBL6682467 0.90 SERPINE1 (0.37) SERPINE1EPHX1LMNA
SCHEMBL14046055 0.88 KDM4E (0.36) SERPINE1EPHX1SLC18A3MAPTKDM4E
SCHEMBL19674496 0.88 KDM4E (0.36) SERPINE1EPHX1SLC18A3MAPTKDM4E
SCHEMBL1037894 0.88 LMNA (0.31) SERPINE1SMN1; SMN2LMNA
SCHEMBL7360219 0.88 LMNA (0.31) SERPINE1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288599-B1 WOUND PACKING MATERIAL COMPRISING CHEMOEFFECTOR CHEMOKIND INC (US) 2023-06-07 EP claimed
EP-3854484-A2 GRINDING AID FOR GRINDING TITANIUM DIOXIDE Kronos International, Inc. (DE) 2021-07-28 EP claimed
US-20040171087-A1 Quantitative single-step immunoassay in lyophilized form MEDSYSTEMS DIAGNOSTICS GMBH (AT) 2004-09-02 US claimed
EP-0174572-B1 CYCLOHEXANE-1,2-DICARBOXYLIC AMIDES, IONIC-SELECTIVES MEMBRANES AND TEST APPARATUS CONTAINING THESE COMPOUNDS Willi Möller AG (CH) 1991-03-06 EP claimed
EP-3854484-A2 GRINDING AID FOR GRINDING TITANIUM DIOXIDE Kronos International, Inc. (DE) 2021-07-28 EP disclosed
US-20040171087-A1 Quantitative single-step immunoassay in lyophilized form MEDSYSTEMS DIAGNOSTICS GMBH (AT) 2004-09-02 US disclosed
EP-0351641-A1 1-Phenylpyrrole NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP disclosed
EP-0002725-B1 FILM FORMING COMPOSITION FOR COATING THE PINS OF A MODULE International Business Machines Corporation (US) 1984-05-30 EP disclosed